SCHEMBL4033484

SCHEMBL4033484

Cc1cc(N)ccc1Nc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GFER P55789 1/20 0.55
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TNIK Q9UKE5 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
THRB P10828 1/20 0.45
RET P07949 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDR P35968 1/20 0.43
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4033700 0.82 ALDH1A1 (0.57) MAPK10MEN1KMT2AGFERNPC1
SCHEMBL17713569 0.81 RET (0.56) NPC1RAB9AMAPTTNIKSMN1; SMN2
SCHEMBL18199830 0.79 MEN1 (0.67) MAPK10MEN1KMT2AGFERNPC1
SCHEMBL31220877 0.79 MAPK10 (0.73) MAPK10MEN1KMT2AGFERNPC1
SCHEMBL7941542 0.79 MAPK10 (0.73) MAPK10MEN1KMT2AGFERNPC1
SCHEMBL6836695 0.77 MAPK10 (0.55) MAPK10MEN1KMT2AGFERNPC1
SCHEMBL9777679 0.77 MEN1 (0.55) MAPK10MEN1KMT2AGFERNPC1
SCHEMBL1600227 0.77 MEN1 (0.50) MAPK10MEN1KMT2AGFERNPC1
SCHEMBL3642226 0.77 MAPK10 (0.51) MAPK10MEN1KMT2AGFERNPC1
SCHEMBL8335509 0.75 MAPT (0.51) MAPK10MEN1KMT2AMAPTTNIK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 MAPK10 1069/4885MEN1 1212/4885KMT2A 1693/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MAPK10 803/4885MEN1 2352/4885KMT2A 1786/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.